Geometry & MOs

Info

ID:	272937
PubChem CID:	103768302
Reduced:	ClSN2O2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	7.39
IP(EA), eV:	-9.18(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-nitro-N-[1-(oxan-4-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)CC#N

DOS

IR

Vibrations